N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-nitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-nitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C13H14N4O3/c18-13(11-3-1-4-12(9-11)17(19)20)15-5-2-7-16-8-6-14-10-16/h1,3-4,6,8-10H,2,5,7H2,(H,15,18)